SCHEMBL9411375

SCHEMBL9411375

COc1ccc2c(CCC3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)noc2c1OC

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.62
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9411387 0.86 ACHE (0.66) ACHEBCHE
SCHEMBL9411500 0.86 ACHE (0.68) ACHEBCHE
SCHEMBL4488641 0.86 ACHE (0.79) ACHEBCHE
SCHEMBL9411486 0.83 ACHE (0.63) ACHEBCHE
SCHEMBL9411558 0.83 ACHE (0.59) ACHEBCHE
SCHEMBL9411567 0.83 ACHE (0.58) ACHEBCHE
SCHEMBL9411583 0.82 ACHE (0.61) ACHEMEN1KMT2ABCHE
SCHEMBL9411269 0.82 ACHE (0.57) ACHEBCHE
SCHEMBL9411353 0.82 ACHE (0.57) ACHEBCHE
SCHEMBL9411341 0.82 ACHE (0.66) ACHEBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed